dimethyl 5-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C660-0415 |
| Compound Name: | dimethyl 5-[(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 395.42 |
| Molecular Formula: | C20 H21 N5 O4 |
| Smiles: | COC(c1cc(cc(c1)Nc1c2c(ncn1)n1CCCCCc1n2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6243 |
| logD: | 3.624 |
| logSw: | -3.7961 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.11 |
| InChI Key: | CIUFLSCUBNTPBK-UHFFFAOYSA-N |